SCHEMBL4351961

SCHEMBL4351961

NCC1CCC(CNc2ncc3ncnc(Nc4ccc(F)c(Cl)c4)c3n2)CC1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.60
ERBB2 P04626 3/20 0.60
HPGD P15428 1/20 0.60
HTT P42858 1/20 0.60
MAPT P10636 1/20 0.54
SOS1 Q07889 2/20 0.50
GRM1 Q13255 1/20 0.48
PRKCQ Q04759 7/20 0.47
STK17A Q9UEE5 2/20 0.45
STK17B O94768 1/20 0.45
FBP1 P09467 1/20 0.42

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6996566 0.93 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6991963 0.91 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989773 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL6990926 0.89 EGFR (0.60) EGFRERBB2HPGDHTTMAPT
SCHEMBL6989781 0.89 EGFR (0.73) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319391 0.88 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL8319396 0.88 EGFR (0.57) EGFRERBB2HPGDHTTMAPT
SCHEMBL6986993 0.88 EGFR (0.76) EGFRERBB2HPGDHTTMAPT
SCHEMBL8315785 0.86 EGFR (0.59) EGFRERBB2HPGDHTTMAPT
SCHEMBL8316336 0.86 EGFR (0.57) EGFRERBB2HPGDHTTMAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP claimed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP claimed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO claimed
WO-2009070328-A1 MODULATORS OF THE EPIDERMAL GROWTH FACTOR RECEPTOR (EGFR) PATHWAY FOR USE IN THE TREATMENT OR PREVENTION OF SUBSTANCE ABUSE THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2009-06-04 WO disclosed
EP-0888351-B1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION THOMAE GMBH DR K (DE) 2003-10-15 EP disclosed
EP-0888351-A1 PYRIMIDO 5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION Dr. Karl Thomae GmbH (DE) 1999-01-07 EP disclosed
WO-1997032880-A1 PYRIMIDO[5,4-D]PYRIMIDINES, MEDICAMENTS CONTAINING THESE COMPOUNDS, THEIR USE AND PROCESS FOR THEIR PRODUCTION DR. KARL THOMAE GMBH (DE) 1997-09-12 WO disclosed